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29727-70-6

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Basic Information
CAS No.: 29727-70-6
Name: 6-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid
Molecular Structure:
Molecular Structure of 29727-70-6 (6-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid)
Formula: C11H11 N O6 S2
Molecular Weight: 317.35
Density: 1.729g/cm3
Safety: Mildly toxic by ingestion. A severe eye irritant. See also SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
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Chemistry

Product Name:  6-Amino-5-sulfomethyl-2-naphthalenesulfonic acid (CAS NO.29727-70-6)


Molecular Formula: C11H11NO6S2
Molecular Weight: 317.35g/mol
Mol File: 29727-70-6.mol
Density: 1.729 g/cm3
Surface Tension: 91.9 dyne/cm
XLogP3-AA: -0.1
H-Bond Donor: 3
H-Bond Acceptor: 7
IUPAC Name: 6-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid
Canonical SMILES: C1=CC2=C(C=CC(=C2CS(=O)(=O)O)N)C=C1S(=O)(=O)O
InChI: InChI=1S/C11H11NO6S2/c12-11-4-1-7-5-8(20(16,17)18)2-3-9(7)10(11)6-19(13,
14)15/h1-5H,6,12H2,(H,13,14,15)(H,16,17,18) 
InChIKey: FHAPCIVDWNIOPS-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 500 mg/24H SEV

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,190.
2.    

orl-rat LD50:9200 mg/kg

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,190.

Safety Profile

Mildly toxic by ingestion. A severe eye irritant. See also SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

  6-Amino-5-sulfomethyl-2-naphthalenesulfonic acid ,its CAS NO. is 29727-70-6,the synonyms is  Kyselina 1-sulfomethyl-2-naftylamin-6-sulfonova ; 2-Naphthalenesulfonic acid, 6-amino-5-sulfomethyl- .